A combined experimental and theoretical study of 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene adsorption on Au(111)

Autor: Lokamani, M., Kelling, J., Ohmann, R., Meyer, J., Kühne, T., Cuniberti, G., Wolf, J., Huhn, T., Zahn, P., Moresco, F., Gemming, S.
Jazyk: angličtina
Rok vydání: 2021
Předmět:
Zdroj: Surface Science 712(2021), 121877
Popis: The electronic and geometrical structure of 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB) molecules adsorbed on a Au(111) surface is investigated by low temperature scanning tun- neling microscopy (STM) and scanning tunneling spectroscopy (STS) in conjunction with density- functional-based tight-binding (DFTB) simulations of the density of states and the interaction with the substrate. Our density functional theory calculations indicate that the PEEB molecule is ph- ysisorbed on the Au(111) substrate, with negligible distortion of the molecular geometry and charge transfer between molecule and substrate.
Databáze: OpenAIRE